6-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C17H17F3N5O2- MolecularWeight: 380.34439

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C17H18F3N5O2/c18-17(19,20)15-12(10-22-25(15)13-6-7-14(26)24-23-13)16(27)21-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H,21,27)(H,24,26)/p-1